(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine

Systemtic Name: (2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine Openeye Name: (2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine CAS Name: (2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine IUPAC Name: (2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine Traditional Name: [(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-(2,4,6-trimethoxybenzyl)amine Formula: C21H31N2O4+ MolecularWeight: 375.48184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)OC)CNCC(C2=CC=CO2)[NH+]3CCCCC3)OC

Isomeric SMILES

COC1=CC(=C(C(=C1)OC)CNC[C@@H](C2=CC=CO2)[NH+]3CCCCC3)OC

InChI

InChI=1S/C21H30N2O4/c1-24-16-12-20(25-2)17(21(13-16)26-3)14-22-15-18(19-8-7-11-27-19)23-9-5-4-6-10-23/h7-8,11-13,18,22H,4-6,9-10,14-15H2,1-3H3/p+1/t18-/m0/s1